SCHEMBL2335982

SCHEMBL2335982

O[C@@H]1CC[C@@H](Oc2cccc3onc(OCC4CCN(CC5(O)CCOCC5)CC4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 1.00
CYP3A4 P08684 1/20 0.72
ACHE P22303 1/20 0.39
KCNH2 Q12809 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5116742 1.00 HTR4 (1.00) HTR4CYP3A4ACHEKCNH2
SCHEMBL2333665 0.96 HTR4 (0.92) HTR4CYP3A4ACHEKCNH2
SCHEMBL2333671 0.96 HTR4 (0.92) HTR4CYP3A4ACHEKCNH2
SCHEMBL2331352 0.92 HTR4 (1.00) HTR4CYP3A4ACHEKCNH2
SCHEMBL14138520 0.90 HTR4 (0.90) HTR4CYP3A4ACHEKCNH2
Pf-04995274 SCHEMBL619629 0.89 HTR4 (1.00) HTR4CYP3A4ACHEKCNH2
Pf-04995274 SCHEMBL619630 0.89 HTR4 (1.00) HTR4CYP3A4ACHEKCNH2
Pf-04995274 SCHEMBL29385310 0.89 HTR4 (1.00) HTR4CYP3A4ACHEKCNH2
SCHEMBL5116299 0.86 HTR4 (0.78) HTR4CYP3A4ACHEKCNH2
SCHEMBL2334363 0.86 HTR4 (0.78) HTR4CYP3A4ACHEKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RQUALIA PHAMRA INC. (JP) 2012-12-20 US claimed
EP-2533780-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RaQualia Pharma Inc (JP) 2012-12-19 EP claimed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO claimed
EP-2533780-B1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA ASKAT INC (JP) 2017-08-23 EP disclosed
US-8980922-B2 5-HT4 receptor agonists for the treatment of dementia RAQUALIA PHARMA INC. (JP) 2015-03-17 US disclosed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RQUALIA PHAMRA INC. (JP) 2012-12-20 US disclosed
EP-2533780-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RaQualia Pharma Inc (JP) 2012-12-19 EP disclosed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA HTR4, HTR5A, HTR1A HTR4 1/4885CYP3A4 688/4885ACHE 288/4885
US-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 HTR4 3/4885CYP3A4 142/4885ACHE 170/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.